CID 3022118

Brn 4433055

Structural Information

Molecular Formula
C14H14N2O
SMILES
CC1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)C
InChI
InChI=1S/C14H14N2O/c1-10-5-3-6-12(9-10)16-14(17)13-7-4-8-15-11(13)2/h3-9H,1-2H3,(H,16,17)
InChIKey
NYEPQJQFNIKQIS-UHFFFAOYSA-N
Compound name
2-methyl-N-(3-methylphenyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 150.8
[M+Na]+ 249.09983 158.5
[M-H]- 225.10333 156.5
[M+NH4]+ 244.14443 167.3
[M+K]+ 265.07377 154.8
[M+H-H2O]+ 209.10787 142.6
[M+HCOO]- 271.10881 174.4
[M+CH3COO]- 285.12446 193.2
[M+Na-2H]- 247.08528 156.7
[M]+ 226.11006 150.5
[M]- 226.11116 150.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.